Compound Detail
CHEMBL2203976
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Basic Information
| ChEMBL ID | CHEMBL2203976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSOMIMVEQQLJPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.92
ALogP
6
HBA
2
HBD
103.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoylglutathione lyase CHEMBL2424 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoylglutathione lyase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed... | 23122816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23122816 | 10.1016/j.bmcl.2012.10.045 | Lactoylglutathione lyase | 1 |
Data from ChEMBL 36 via Core Engine